CID 209547

19985-22-9

Structural Information

Molecular Formula
C19H23N3O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2CCN(C2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23N3O2/c1-24-18-9-7-16(8-10-18)20-19(23)21-17-11-12-22(14-17)13-15-5-3-2-4-6-15/h2-10,17H,11-14H2,1H3,(H2,20,21,23)
InChIKey
FWILLPHCNXMGSS-UHFFFAOYSA-N
Compound name
1-(1-benzylpyrrolidin-3-yl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 176.5
[M+Na]+ 348.16824 180.0
[M-H]- 324.17174 184.2
[M+NH4]+ 343.21284 189.7
[M+K]+ 364.14218 175.8
[M+H-H2O]+ 308.17628 166.5
[M+HCOO]- 370.17722 198.9
[M+CH3COO]- 384.19287 211.1
[M+Na-2H]- 346.15369 178.4
[M]+ 325.17847 173.9
[M]- 325.17957 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe